butyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-chlorophenyl)acryloyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C22H20ClNO3S/c1-2-3-14-27-22(26)20-16-9-5-7-11-18(16)28-21(20)24-19(25)13-12-15-8-4-6-10-17(15)23/h4-13H,2-3,14H2,1H3,(H,24,25)/b13-12+